######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30686 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D TROSY-[1H-15N] HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Data Height Val2N-HN 124.300 7.882 30473328 Glu3N-HN 125.922 8.401 197897024 Phe4N-HN 122.243 8.267 161596080 Ser5N-HN 118.233 8.116 118123184 Glu6N-HN 123.540 8.350 65069096 Glu7N-HN 123.196 8.362 135370192 Cys8N-HN 115.484 7.882 78858816 Met9N-HN 117.937 9.304 29672348 His10N-HN 124.725 9.473 30549172 Ser12N-HN 122.495 8.994 22486780 Gly13N-HN 109.751 8.994 36718664 Glu14N-HN 124.416 9.595 46578428 Asn15N-HN 113.473 8.371 34446652 Tyr16N-HN 121.838 7.554 35622148 Asp17N-HN 130.800 8.677 25947334 Lys19N-HN 117.998 9.213 27198784 Ile20N-HN 123.210 7.496 33635960 Ser21N-HN 123.224 8.749 34193980 Lys22N-HN 120.115 7.085 51581112 Thr23N-HN 111.696 9.091 37155240 Met24N-HN 118.557 9.360 19496060 Ser25N-HN 114.068 7.687 32188534 Gly26N-HN 111.253 8.080 33485276 Leu27N-HN 121.155 7.124 33567744 Glu28N-HN 123.050 8.646 44069192 Cys29N-HN 126.002 8.573 24283016 Gln30N-HN 128.133 9.589 19617682 Ala31N-HN 129.071 8.660 35236576 Trp32N-HE1 131.883 11.361 38568052 Trp32N-HN 123.924 7.647 31458248 Asp33N-HN 114.237 8.870 20891858 Ser34N-HN 114.924 7.988 59978608 Gln35N-HN 124.090 8.311 33068344 Ser36N-HN 113.311 7.622 51065920 His38N-HN 123.948 8.739 31543488 Ala39N-HN 128.621 8.535 35960872 His40N-HN 121.747 9.256 35265636 Gly41N-HN 106.562 8.971 19277020 Tyr42N-HN 133.940 12.000 21195412 Ile43N-HN 119.456 7.094 39314928 Ser45N-HN 108.227 7.947 42769080 Lys46N-HN 122.765 7.714 33664432 Phe47N-HN 115.299 6.933 50337632 Asn49N-HN 115.036 8.652 18933704 Lys50N-HN 116.331 7.591 37539468 Asn51N-HN 115.248 7.798 34111776 Leu52N-HN 122.015 8.803 28554438 Lys53N-HN 124.963 7.059 40893176 Lys54N-HN 118.556 8.742 34899576 Asn55N-HN 124.392 7.507 26960698 Tyr56N-HN 115.669 7.570 40077020 Cys57N-HN 119.683 9.067 34283736 Arg58N-HN 123.362 9.113 18682444 Asn59N-HN 113.788 8.719 44591416 Asp61N-HN 120.273 8.889 35190472 Arg62N-HN 118.024 8.899 31864160 Asp63N-HN 120.901 9.305 33725952 Leu64N-HN 122.552 11.084 23709844 Arg65N-HN 109.656 7.615 44487592 Trp67N-HE1 129.872 10.109 27756072 Trp67N-HN 121.910 8.642 23636988 Cys68N-HN 110.109 8.334 27474488 Phe69N-HN 120.976 7.965 19097656 Thr70N-HN 112.733 7.799 30058152 Thr71N-HN 104.441 8.001 24329924 Asp72N-HN 126.611 8.989 34758736 Asn74N-HN 114.490 8.907 51295624 Lys75N-HN 123.649 7.919 48604300 Arg76N-HN 129.734 8.769 25008112 Trp77N-HE1 132.559 9.380 38896240 Trp77N-HN 109.348 7.374 44501096 Glu78N-HN 120.291 8.608 25421228 Tyr79N-HN 119.762 7.351 26164538 Cys80N-HN 118.966 9.286 18659614 Asp81N-HN 125.203 9.661 35171192 Ile82N-HN 125.600 7.729 39256080 Arg84N-HN 122.675 8.588 53875236 Cys85N-HN 124.505 8.740 39367096 Ala86N-HN 126.832 8.654 65391828 Ala87N-HN 128.868 7.820 217507936 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 17 ppm . . . 4.7 . . 30686 1 2 . . N 15 N . . 26 ppm . . . 119 . . 30686 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30686 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Data Height Ala3N-HN 126.875 8.507 9640397 Gly4N-HN 108.820 8.359 29002480 Leu5N-HN 122.360 8.071 58479980 Gln6N-HN 121.242 8.482 47762788 Glu7N-HN 122.440 8.466 45674928 Lys8N-HN 121.548 8.245 43760084 Glu9N-HN 121.015 8.253 50330300 Arg10N-HN 121.591 8.103 64381296 Glu11N-HN 121.496 8.285 7398476 Glu13N-HN 121.315 8.633 3463510 Asp14N-HN 121.344 8.159 20631166 Leu15N-HN 121.762 8.359 57654048 Lys16N-HN 120.785 7.825 15204136 Asp17N-HN 120.240 8.384 32232280 Ala18N-HN 123.845 8.006 41450872 Glu19N-HN 119.896 8.013 19568828 Leu20N-HN 121.142 7.973 33653592 Lys21N-HN 121.345 8.152 28945948 Arg22N-HN 120.374 8.247 7224258 Leu23N-HN 121.015 8.267 35511796 Asn24N-HN 119.733 7.627 10831781 Glu25N-HN 120.447 8.251 10064681 Arg27N-HN 122.229 7.953 16065353 His28N-HN 118.048 7.816 9500684 Asp29N-HN 124.262 8.847 6886396 His30N-HN 120.253 8.393 36267944 Asp31N-HN 119.765 7.636 11816011 Lys32N-HN 121.835 8.176 23319262 Arg33N-HN 120.522 7.536 15704289 Glu34N-HN 121.074 8.226 14211430 Ala35N-HN 122.974 7.995 21425408 Glu36N-HN 122.510 8.026 67718968 Arg37N-HN 122.758 7.946 14393152 Lys38N-HN 120.634 8.112 20093836 Ala39N-HN 121.812 7.818 23194280 Leu40N-HN 119.746 7.686 24108082 Glu41N-HN 120.421 8.027 26620998 Asp42N-HN 121.120 8.381 26484722 Lys43N-HN 122.728 7.938 9812997 Leu44N-HN 123.198 8.163 4562501 Ala45N-HN 124.764 8.084 3868708 Asp46N-HN 119.577 8.049 33436442 Lys47N-HN 121.554 8.097 44471344 Glu49N-HN 122.081 8.346 42115468 His50N-HN 120.376 8.460 4358644 Leu51N-HN 125.568 8.292 4088812 Asp52N-HN 121.702 8.407 9158673 Gly53N-HN 114.857 8.292 7408226 Ala54N-HN 123.791 8.211 7664780 Leu55N-HN 121.355 8.027 72810312 Arg56N-HN 122.468 8.020 53699656 Tyr57N-HN 126.666 7.640 85218184 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 17 ppm . . . 4.7 . . 30686 2 2 . . N 15 N . . 36 ppm . . . 119 . . 30686 2 stop_ save_